N-Lauroyl-l-alanine

• CAS: 52558-74-4
• Catalog Number: ACM52558744
• Category: Other Products
• Molecular Weight: 271.40
• Molecular Formula: C15H29NO3
• Synonyms: Lauroyl alanine; Lauroylalanine
• IUPAC Name: (2S)-2-(dodecanoylamino)propanoic acid
• InChI: InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16-13(2)15(18)19/h13H,3-12H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
• InChI Key: UYTOHYBIBPDOKX-ZDUSSCGKSA-N
• Boiling Point: 452.1±28.0 °C (Predicted)
• Melting Point: 104-105 °C
• Density: 0.979 g/cm³
• Appearance: White powder
• Complexity: 254
• Exact Mass: 271.21474379
• Formal Charge: 0
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O
• MDL Number: MFCD00216726
• Monoisotopic Mass: 271.21474379
• pKa: 3.69±0.10 (Predicted)
• Rotatable Bond Count: 12
• Storage Conditions: 2-8°C
• Topological Polar Surface Area: 66.4 Ų
• XLogP3-AA: 4.7